SCHEMBL5310243

SCHEMBL5310243

CC(C)(NCCONC(C)(C)C(=O)CCn1ccnc1[N+](=O)[O-])C(=O)CCn1ccnc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA9 Q16790 5/20 0.43
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.37
TYMP P19971 3/20 0.33
NOS1 P29475 1/20 0.33
EGFR P00533 8/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5313992 0.96 LMNA (0.42) CA12CA1CA2CA9LMNA
SCHEMBL5313431 0.96 CA12 (0.42) CA12CA1CA2CA9LMNA
SCHEMBL5311293 0.96 CA12 (0.42) CA12CA1CA2CA9LMNA
SCHEMBL8716992 0.93 CA12 (0.38) CA12CA1CA2CA9LMNA
SCHEMBL8716200 0.92 CA12 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL8716222 0.92 CA12 (0.39) CA12CA1CA2CA9LMNA
SCHEMBL6131660 0.87 CA12 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL5313364 0.86 LMNA (0.46) CA12CA1CA2CA9LMNA
SCHEMBL5311404 0.85 LMNA (0.47) CA12CA1CA2CA9LMNA
SCHEMBL5312522 0.85 LMNA (0.47) CA12CA1CA2CA9LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP claimed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP claimed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US claimed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US claimed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP claimed
EP-0629617-B2 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 2007-09-26 EP disclosed
EP-0629617-B1 Heteroatom-bearing ligands and metal complexes thereof BRACCO INT BV (NL) 1998-04-29 EP disclosed
US-5741912-A DIAGNOSIS, THERAPY BRACCO INTERNATIONAL B.V. 1998-04-21 US disclosed
US-5665329-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-09-09 US disclosed
US-5656254-A Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy BRACCO INTERNATIONAL B.V. 1997-08-12 US disclosed
US-5627286-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-05-06 US disclosed
US-5608110-A Heteroatom-bearing ligands and metal complexes thereof BRACCO INTERNATIONAL B.V. 1997-03-04 US disclosed
EP-0629617-A1 Heteroatom-bearing ligands and metal complexes thereof BRACCO International B.V. (NL) 1994-12-21 EP disclosed